Morpholine
PubChem CID: 8083
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| Compound Synonyms | MORPHOLINE, 110-91-8, 1-Oxa-4-azacyclohexane, Diethylene oximide, Tetrahydro-1,4-oxazine, Diethylenimide oxide, Diethyleneimide oxide, Diethylene imidoxide, Drewamine, Tetrahydro-2H-1,4-oxazine, Tetrahydro-p-oxazine, p-Isoxazine, tetrahydro-, morpholin, Tetrahydro-1,4-isoxazine, BASF 238, 138048-80-3, Caswell No. 584, 2H-1,4-Oxazine, tetrahydro-, 4H-1,4-Oxazine, tetrahydro-, NSC 9376, Tetrahydro-p-isoxazine, CCRIS 2482, HSDB 102, EINECS 203-815-1, UNII-8B2ZCK305O, EPA Pesticide Chemical Code 054701, BRN 0102549, 8B2ZCK305O, DTXSID2025688, CHEBI:34856, AI3-01231, NSC-9376, MFCD00005972, C4H9NO, Tetrahydro-4H-1-4-oxazine, DTXCID305688, EC 203-815-1, 4-27-00-00015 (Beilstein Handbook Reference), MORPHOLINE (IARC), MORPHOLINE [IARC], tetrahydro-14-iso-xazine, 1,4-oxazinane, CAS-110-91-8, MORPHOLINE,REAG, MORPHOLINE, PRACT, UN2054, morphline, Morpholine, Molsidomine Imp. E (EP), Molsidomine Impurity E, morpho line, morpholine-, 6LR, Morpholine (BASF), 4H-1, tetrahydro-, MORPHOLINE [MI], Morpholine [UN2054] [Flammable liquid], MORPHOLINE [FCC], DIEYTHYLENE OXIMIDE, MORPHOLINE [HSDB], Morpholine on Rasta Resin, WLN: T6M DOTJ, NCIMech_000154, Tetrahydro-1, 4-isoxazine, NCIOpen2_007748, Oprea1_317540, Tetryhydro-2H-1,4-oxazine, Tetrahydro-4H-1,4-Oxazine, BIDD:ER0297, Morpholine, analytical standard, CHEMBL276518, NSC9376, BCP24054, STR00194, SYB02456, Tox21_202450, Tox21_303240, STL182843, TETRAHYDRO-2H-1, 4-OXAZINE, AKOS000118829, Morpholine, ACS reagent, >=99.0%, Morpholine, ReagentPlus(R), >=99%, DB13669, NA 2054, UN 2054, USEPA/OPP Pesticide Code: 054701, NCGC00249227-01, NCGC00256942-01, NCGC00259999-01, Morpholine, p.a., ACS reagent, 99.0%, DB-030063, Morpholine [UN2054] [Flammable liquid], M0465, NS00010190, EN300-18064, Morpholine purified by distillation from glass, Morpholine, purified by redistillation, >=99.5%, Q410243, 1-Oxa-4-azacyclohexane, Tetrahydro-2H-1,4-oxazine, 1-Oxa-4-azacyclohexane, Tetrahydro-2H-1,4-oxazine, F2190-0339, InChI=1/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H, 203-815-1, ScavengePore(TM) phenethyl morpholine, macroporous, 40-70 mesh, extent of labeling: 0.7-1.5 mmol/g loading, StratoSpheres(TM) PL-MPH resin, 50-100 mesh, extent of labeling: 3.0-4.0 mmol/g loading, 1 % cross-linked |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 21.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCNCCO6 |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Oxazinanes |
| Description | Permitted (FDA) in edible coatings for fruit and vegetables. Food contaminant arising from its use as a boiler water additive Morpholine is a common additive, in ppm concentrations, for pH adjustment in both fossil fuel and nuclear power plant steam systems. Morpholine is used because its volatility is about the same as water, so once it is added to the water, its concentration becomes distributed rather evenly in both the water and steam phases. Its pH adjusting qualities then become distributed throughout the steam plant to provide corrosion protection. Morpholine is often used in conjunction with low concentrations of hydrazine or ammonia to provide a comprehensive all-volatile treatment chemistry for corrosion protection for the steam systems of such plants. Morpholine decomposes reasonably slowly in the absence of oxygen even at the high temperatures and pressures in these steam systems., Morpholine is an organic chemical compound having the chemical formula O(CH2CH2)2NH. This heterocycle, pictured at right, features both amine and ether functional groups. Because of the amine, morpholine is a base, its conjugate acid is called morpholinium. For example, when morpholine is neutralized by hydrochloric acid, one obtains the salt morpholinium chloride., Morpholine is widely used in organic synthesis. For example, it is a building block in the preparation of the antibiotic linezolid and the anticancer agent gefitinib (Iressa). |
| Scaffold Graph Node Level | C1COCCN1 |
| Classyfire Subclass | Morpholines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 34.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | morpholine |
| Class | Oxazinanes |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Morpholines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H9NO |
| Scaffold Graph Node Bond Level | C1COCCN1 |
| Inchi Key | YNAVUWVOSKDBBP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 1-Oxa-4-azacyclohexane, 2H-1,4-Oxazine, tetrahydro-, 4H-1,4-Oxazine, tetrahydro-, C4H9NO, Diethylene imidoxide, Diethylene oximide, Diethyleneimide oxide, Diethylenimide oxide, Drewamine, Morpholine [UN2054] [Flammable liquid], Morpholine on rasta resin, Morpholine, 4-soya alkyl derivs., Morpholine, pract, Morpholine,reag, P-isoxazine, tetrahydro-, Tetrahydro-1, 4-isoxazine, Tetrahydro-1,4-isoxazine, Tetrahydro-1,4-oxazine, Tetrahydro-2H-1,4-oxazine, Tetrahydro-4H-1-4-oxazine, Tetrahydro-4H-1,4-oxazine, Tetrahydro-P-isoxazine, Tetrahydro-p-oxazine, Tetryhydro-2H-1,4-oxazine, 1,4-Oxazinane, Morpholine ON rasta resin, tetrahydro-1, 4-Isoxazine, tetrahydro-1,4-Isoxazine, tetrahydro-2H-1,4-Oxazine, tetrahydro-4H-1,4-Oxazine, tetrahydro-4H-1-4-Oxazine, tetrahydro-P-Isoxazine, tetryhydro-2H-1,4-Oxazine, Morpholine hydroiodide, Morpholine phosphate, Morpholine phosphate (3:1), Morpholine sulfite (1:1), Morpholine phosphonate (1:1), Morpholine hydrochloride, morpholine |
| Substituent Name | Morpholine, Oxacycle, Azacycle, Secondary amine, Ether, Secondary aliphatic amine, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aliphatic heteromonocyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CNC, COC |
| Compound Name | Morpholine |
| Kingdom | Organic compounds |
| Exact Mass | 87.0684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 87.0684 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 87.12 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 |
| Smiles | C1COCCN1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Morpholines |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
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